N-[5-(3,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide

Systemtic Name: N-[5-(3,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Openeye Name: N-[5-(3,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide CAS Name: N-[5-(3,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide IUPAC Name: N-[5-(3,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[5-(3,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Formula: C17H14N4O3S MolecularWeight: 354.38306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H14N4O3S/c1-10-6-7-13(8-11(10)2)16-19-20-17(25-16)18-15(22)12-4-3-5-14(9-12)21(23)24/h3-9H,1-2H3,(H,18,20,22)